New evidence for asymmetric dimer reconstruction on the Si(100)-(2×1) surface

The electronic structure of the Si(100)-(2×{}1) surface in the asymmetric dimer geometry has been studied using the tight-binding scattering theoretical method for semi-infinite crystals based on a realistic bulk Si description. Our results lend very strong further support to the asymmetric dimer model since they are in good agreement with all available photoemission [ultraviolet (UPS) and angle-resolved (ARUPS)] spectroscopy data, thus resolving outstanding discrepancies between previous theoretical results and experiment.